|
SMILES,Hepatobiliary disorders,Metabolism and nutrition disorders,Product issues,Eye disorders,Investigations,Musculoskeletal and connective tissue disorders,Gastrointestinal disorders,Social circumstances,Immune system disorders,Reproductive system and breast disorders,"Neoplasms benign, malignant and unspecified (incl cysts and polyps)",General disorders and administration site conditions,Endocrine disorders,Surgical and medical procedures,Vascular disorders,Blood and lymphatic system disorders,Skin and subcutaneous tissue disorders,"Congenital, familial and genetic disorders",Infections and infestations,"Respiratory, thoracic and mediastinal disorders",Psychiatric disorders,Renal and urinary disorders,"Pregnancy, puerperium and perinatal conditions",Ear and labyrinth disorders,Cardiac disorders,Nervous system disorders,"Injury, poisoning and procedural complications" |
|
C(CNCCNCCNCCN)N,1,1,0,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1,1,1,0 |
|
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C,0,1,0,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0,0,1,0,1,0 |
|
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34,0,1,0,1,1,0,1,0,1,1,1,0,0,0,1,0,1,0,0,0,1,0,0,0,0,1,0 |
|
CCC12CC(=C)C3C(C1CC[C@]2(C#C)O)CCC4=CC(=O)CCC34,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,0,0,1,1 |
|
C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,1,0,1,0 |
|
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN,0,1,0,1,1,1,1,0,1,0,1,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2([C@]1(C(=O)CCl)O)C)O)F)C,0,1,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,0,1,0,0,1,0,0,0,1,1 |
|
CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N,1,1,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N,0,0,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0 |
|
C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,1,0,1,1,0,0,0,1,1,1,0 |
|
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O,1,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CCCSC1=NC2=C(C(=N1)N[C@@H]3C[C@H]3C4=CC(=C(C=C4)F)F)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,0,1,0,1,0,1,1 |
|
Cl[Tl],0,0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[N+](C)(C)CC(CC(=O)O)O,0,1,0,1,1,1,1,0,1,0,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O,0,1,0,0,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N.C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C(CC(=O)O)CN,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C)F,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,0,1,0,1,1,0,1,0,1,1,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0 |
|
CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C(CC(=O)O)C(=O)CN,1,0,0,1,1,0,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,0,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CCC12CC(=C)C3C(C1CC[C@]2(C#C)O)CCC4=CC(=O)CCC34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,0,1,1,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,0,0,1,1 |
|
CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C,1,1,0,1,1,1,1,1,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O,1,1,0,0,1,1,1,0,1,0,0,1,1,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O,0,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,0,0,1,0,0,0,1,0,1,0,1 |
|
CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O,0,1,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,0,1,0,1,1,0,0,0,1,0 |
|
CC(=O)[O-],0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0 |
|
CC(=O)OCC[N+](C)(C)C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0 |
|
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O,0,0,1,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1 |
|
CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,0,0,1,0,1,1 |
|
C1=CO[C@@H]([C@H]([C@@H]1O)O)C(=O)O.Cl,0,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0 |
|
C(C1C(C(C(C(O1)O)O)O)O)O,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,1,0,0,1,1,1,0,0,0,1,1,1 |
|
CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
N,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0 |
|
CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC,1,0,0,1,1,1,1,0,0,0,0,1,0,0,0,0,1,0,1,0,1,0,0,1,0,1,0 |
|
C(CC(C(=O)O)N)CN=C(N)N,0,1,0,0,1,0,1,0,1,0,0,1,0,1,1,0,1,1,0,1,0,1,0,0,1,1,0 |
|
C1=CC=C(C=C1)CO,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1 |
|
C[N+](C)(C)CC(=O)[O-],0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,1,1,1,0,0,0,1,0 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1 |
|
CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C,1,0,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36,0,0,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
I,0,0,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,0,0,0,1,1,1 |
|
[Ca+2],0,1,0,0,0,0,1,0,1,0,0,1,0,1,1,0,1,0,1,0,1,0,0,0,1,1,0 |
|
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,1,0,0,0,1,1,0 |
|
C,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0 |
|
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],0,0,0,1,1,0,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,1,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC1=NC=CN1.C1C(O1)CCl,1,1,0,0,1,1,1,0,0,0,0,1,1,0,1,0,1,0,1,0,1,0,0,0,1,1,0 |
|
C[N+](C)(C)CCO,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C(C(=O)O)C(CC(=O)O)(C(=O)O)O,1,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1 |
|
[Cl-],0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0 |
|
COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,0,1,0,0,0,1,1 |
|
CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C(=C1)C(=O)O)O,1,1,0,0,1,0,1,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,1,0,1,1 |
|
CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3,0,0,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0 |
|
CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1C(C(=O)NO1)N,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0,1,0,0,0,1,0,0,1,1,1,1 |
|
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl,0,1,0,1,1,1,1,0,0,0,0,0,0,1,1,0,1,1,0,1,1,0,0,1,1,1,1 |
|
CCOC1=CC=CC=C1OCCN[C@@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C(C(C(C(C(CO)O)O)O)O)O,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2],0,1,0,0,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,0,0,1,0,0,1,1,0 |
|
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,0,0,0,1,0,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,1 |
|
CCC1=NC=CC(=C1)C(=S)N,1,1,0,1,1,0,1,0,1,1,0,0,1,0,1,1,1,0,0,0,1,0,0,0,0,1,0 |
|
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,1,1,0,0,1,0,1,0,1,0,0,1,0,0,0,1,1,0,0,0,0,1,0,0,0,1,1 |
|
CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C(CCC(=O)O)CCN,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC(=O)NC(CS)C(=O)O,0,0,0,1,1,0,1,1,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,0 |
|
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C(CS(=O)(=O)O)S,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCC[18F],0,0,0,0,1,1,1,0,0,0,1,1,0,0,1,0,1,0,0,0,1,0,0,0,0,1,0 |
|
CC(C(=O)O)O,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0 |
|
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,0,1,0,0,1,1,1,0,0,0,1,1,0,0,0,1,1,0,1,1,0,1,0,0,1,0,1 |
|
C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-],1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,1 |
|
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl,0,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0 |
|
[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],1,1,0,1,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1C[C@@H]2C(C1)C3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,0,1,1,0,1,0,1,1,1 |
|
CS(=O)C,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1 |
|
C1=CC(=C(C=C1CCN)O)O,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,0 |
|
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,1,1,1,1,0,0,0,1,1,0 |
|
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,1,1,1,1,0,0,1,1,1,1 |
|
C(CO)N,0,0,0,1,1,0,1,0,1,0,0,1,0,0,1,1,0,0,1,1,0,1,0,0,0,1,1 |
|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,1,0,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-],0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3,0,1,0,1,1,1,1,1,1,1,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1 |
|
C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,1,0,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1 |
|
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1,1,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,0 |
|
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C(CC(=O)N)C(C(=O)O)N,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,0,1,1,0,0,0,1,0 |
|
CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C,0,1,0,1,1,1,1,0,1,1,0,1,1,0,0,0,1,0,1,1,0,0,0,1,0,1,1 |
|
C[C@]12CCC(=O)C=C1C[C@H](C3[C@]24C(O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC,1,1,0,0,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5,1,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H]([C@H](NC(=O)C2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C(C(=O)O)N,0,1,0,1,0,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,1,0,1,1,1,1 |
|
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4,1,1,0,1,1,0,1,0,1,1,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,0 |
|
C(C(CO)O)O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,0 |
|
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
C1C[C@H]2CN(C(=O)C3=C2C(=CC=C3)C1)[C@@H]4CN5CCC4CC5,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C(=O)(O)O,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0 |
|
C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl,0,1,0,0,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1=C(NC=N1)CCN,0,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,0,0,1,1,1,0 |
|
CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O,0,1,0,0,1,1,1,0,0,1,0,1,0,1,0,1,1,0,1,0,1,1,0,0,0,1,0 |
|
C1=CC(=CC=C1O)O,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,0,1,0,0,0,0,0 |
|
[K+],0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,0,1,0,1,1,1 |
|
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1 |
|
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,1 |
|
CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CNCC(C1=CC(=C(C=C1)O)O)O,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C,0,0,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl,1,1,0,0,1,1,1,0,1,0,1,1,1,0,0,1,1,0,1,1,0,1,0,0,1,0,1 |
|
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N,0,1,0,0,1,1,1,0,1,1,0,1,1,0,1,0,1,1,0,1,1,0,0,0,1,1,1 |
|
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0 |
|
[Mg+2],0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,1 |
|
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,1,1,1,0 |
|
CCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC,0,0,0,0,0,1,1,0,1,1,1,1,0,0,0,0,1,1,0,1,0,1,1,0,0,1,1 |
|
[Na+],0,1,0,1,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O.C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O,0,1,0,1,1,1,1,0,0,0,0,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,0 |
|
C1=CC(=CN=C1)C(=O)[O-],1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCO.C[C@@H]1C2C(C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1C2C(C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CN1CCCC1C2=CN=CC=C2,0,1,0,1,1,1,1,1,1,1,0,1,1,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
N(=O)[O-],0,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0,0,1,0,0,0,1,1,0 |
|
N#[N+][O-],0,1,0,0,1,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0,1,0,1,1,1 |
|
CC(=O)[O-].[Na+],0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,0,0,1,1,1,0,0,0,1,1,1 |
|
C1=CC(=C(C=C1C(CN)O)O)O,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
[OH-],0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0 |
|
FS(F)(F)(F)(F)F,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
OP(=O)(O)[O-],0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N,0,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl,0,1,0,1,0,1,1,0,0,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1 |
|
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C[C@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3)O)O)C,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CN=C(C=N1)C(=O)N,1,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1,1,0,0,0,1,0,0,0,0,0 |
|
CC1=NC=C(C(=C1O)CO)CO,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0 |
|
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
CCC(=O)OC1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF.C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,0,1,0,1,0,1,0,0,1,0,0,0,1,0,0,0,1,0,1,1,1,0,0,0,1,1,1 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC8=CN=CN8)N,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,1,1,0 |
|
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F.C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C(C[Ge](=O)O[Ge](=O)CCC(=O)O)C(=O)O,1,1,0,1,1,1,1,0,1,0,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-],0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1,1,0,1,0,1,1,1,1 |
|
CC(C(C1CNC2=C(N1)C(=O)N=C(N2)N)O)O,0,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1,1,1,1,1,1,0,0,1,1,1 |
|
C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCO)OCCO)OCCO)OCCO)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,0,0,0,0,1,0,1,0,1,0,0,0,0,0,1,1,1,0,1,0,0,0,0,0,0,0,1 |
|
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,0,0 |
|
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O,1,1,0,0,1,1,1,0,0,0,0,1,0,0,0,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O,0,0,0,1,1,1,1,0,1,0,0,1,0,0,0,1,1,0,1,1,0,0,0,1,0,1,0 |
|
C(C(F)(F)F)(OC(F)F)F,1,1,0,1,1,1,1,0,0,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C(C(C(=O)O)S)(C(=O)O)S,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1,0,1,1,0,1,0,0,1,1,0 |
|
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C,0,0,0,0,1,1,1,0,1,1,0,1,0,0,1,0,0,0,1,0,1,1,0,0,0,1,0 |
|
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC,1,1,1,1,1,1,1,0,0,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5CC5[C@]34C)Cl)C)OC(=O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,0,1,0,1,1,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0 |
|
CC(CC1=CC=CC=C1)NC,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,1,1,0,0,1,0,0,0,1,1,0 |
|
C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,1 |
|
CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N,0,1,0,0,1,1,1,0,1,0,0,0,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,0 |
|
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)OC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)N)O,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,1,1,0,1,1 |
|
C[C@@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
CCC1/C=C(/C(C/C=C/C=C(\C(=O)OC(C/C=C(/C=C(/C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)C(C)O)/COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C,1,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0 |
|
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+],1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl,0,0,0,1,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,0 |
|
C1[C@H](SC(=C(C#N)N2C=CN=C2)S1)C3=C(C=C(C=C3)Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC5=CN=CN5)N,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2],0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
CC1=C(C=CC2=C1N=C(C=C2OC3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC,1,0,0,0,1,1,1,0,0,0,0,1,0,0,0,1,1,0,1,1,1,0,0,0,0,1,0 |
|
CCCCC(=O)O[C@@]1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO,0,0,0,0,0,1,1,0,0,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
CN1C(=NN=N1)SCC2=C(N3C([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1 |
|
CC[PH+](CC)CC.CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[SH2+])OC(=O)C)OC(=O)C)OC(=O)C.[Au].[Au],1,1,0,1,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1,1,0,1,0,0,0,1,0 |
|
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl,1,0,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,1 |
|
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)[C@@H](C)CC,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(C)[C@@H](CO)N1C=C(C(=O)C2=CC(=C(C=C21)OC)CC3=C(C(=CC=C3)Cl)F)C(=O)O,0,0,0,0,0,1,1,0,1,0,0,1,1,0,0,0,1,0,1,0,1,0,0,0,0,1,0 |
|
C[C@H]1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,0,0,1,1 |
|
C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CNC=N9)N,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O,0,0,0,0,0,0,1,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O,1,1,0,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,1,1,0,0,0,0,1,1,1 |
|
C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1 |
|
C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
[H-].[H-].[Ba+2],0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0 |
|
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,0,0,0,0,0,1,1,1,1 |
|
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H](C2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C,0,1,0,1,1,0,1,0,0,0,0,0,0,0,1,1,1,0,0,0,1,0,0,0,1,1,0 |
|
CC1=C(SC=N1)C=CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,0,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)OC(O2)C6CCCCC6,0,1,0,1,1,1,1,0,1,0,0,1,1,0,1,0,1,0,1,1,0,0,0,1,1,1,1 |
|
C(CC(C(F)F)(C(=O)O)N)CN,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,0,1,0,1,0,0,0,0,1,0,1,0 |
|
[H-].[H-].[Sr+2],0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0 |
|
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)[NH3+])O,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@@H](C(=O)O)N.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,1,1,0,1,1,1,1,1,0,1,1,1,1,0,1,0,1,0,1,1,1,1,1,1,1,1,1 |
|
CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,0,0,0,0,0,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,1 |
|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34,1,0,0,0,1,0,1,0,0,1,1,1,0,0,1,0,1,0,1,0,1,0,0,0,0,0,0 |
|
CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C1CC1C2=NC3=CC=CC=C3C(=C2C=C[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F,1,0,0,0,1,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,1,0,0,0,1,1 |
|
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,1,0,1,1,0,0,1,1,1,0 |
|
CC1CC2C3C(CC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)Cl,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
[H+].[H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3],0,0,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+],1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)NC1=[N+](N=C(S1)S(=O)(=O)N)C,1,1,0,1,1,0,1,0,1,0,0,1,0,0,0,1,1,0,0,0,1,1,0,1,0,1,1 |
|
C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,0,1 |
|
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F,1,1,0,0,1,1,1,0,0,0,1,1,1,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,1 |
|
CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC,0,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,0,1,0,0,0,1,1,1,1 |
|
CCCC1=CC(=O)NC(=S)N1,1,0,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,0,1,0,1,0,1,0,1,1 |
|
C(C=O)C(C=O)O,0,1,1,0,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,1 |
|
C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N,1,1,0,0,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC(=O)NC1=CC=C(C=C1)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(=O)NC1=NN=C(S1)S(=O)(=O)N,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,0,1,1,0,1,0,1,1 |
|
CC(=O)NO,0,1,0,0,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1 |
|
CCCCCCCCCCCCCCCCCCCCCCO,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CCCCC(C)(CC=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,0,0,1,0,1,1,0 |
|
C([C@@H]([C@@H]1C(=O)C(=C(O1)[O-])[O-])O)O.[Ca+2],0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0 |
|
CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,0,0,0,0,0,0,1,1 |
|
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0 |
|
C1=NC2=C(N1COCCO)NC(=NC2=O)N,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C=CCN.C1C(O1)CCl.C(=O)(O)O,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
[As],0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CO[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1C(=O)[O-])O[C@H]2[C@@H](O[C@H]([C@H]([C@@H]2[O-])NOS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,0,1,0,0,1,1,0 |
|
CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)O,0,0,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,0,1,0,1,0,0,0,1,0 |
|
CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,0,0,0,1,0,1,0,1,1 |
|
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3C2C(CC4=CC(=O)C=CC34C)Cl)O)C)C)OC(=O)CC,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,0,1,0,1,1,1,1,1,1,0,1,1,0,0,1,1,1,1,1,1,0,1,0,1,0,1,1 |
|
CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,1,0,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=C2C(=NC=NC2=O)NN1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,1 |
|
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,0,1,0,0,1,0,1,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1,0,1,1 |
|
C1C2CC3CC1CC(C2)(C3)N,0,1,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
C[C@@]1([C@@H]2C[C@@H]3[C@H](C(=O)C(=C(N)[O-])C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)[NH+](C)C)O,1,1,0,0,1,1,1,0,1,1,0,0,0,0,0,1,1,1,0,0,0,1,0,0,1,1,0 |
|
CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,0,0,0,1,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C(CN)CNCCSP(=O)(O)O,0,1,0,0,1,0,1,0,1,0,0,1,1,0,1,0,1,0,0,1,0,1,0,0,1,1,1 |
|
C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N,0,1,0,1,1,1,1,0,0,0,0,0,0,0,1,1,1,0,0,1,0,1,0,1,0,1,1 |
|
CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N,1,1,0,0,1,1,1,0,1,0,0,0,1,0,1,1,1,0,0,1,0,0,0,0,1,1,0 |
|
C1=CC(=CC=C1C(=O)NCC(=O)O)N,0,0,0,0,0,1,1,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CN1C2=C(C(=O)N(C1=O)C)NC=N2,0,1,0,0,1,1,1,0,1,0,0,1,1,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I,1,1,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,0,1,0,1,1,1 |
|
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,1,1,0,1,1,1,1,1,0,1,0,1,1,0,1,1,1,0,0,0,1,1,0,1,1,1,1 |
|
CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1 |
|
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC1(C(=O)NC(=NC1=O)[O-])CCC(C)C,1,0,0,0,1,0,1,1,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 |
|
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1,1,0,1,1,0,1,1,0,1,0,1,1,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1 |
|
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)[O-])C,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0 |
|
CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N,1,1,0,0,1,1,1,0,0,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1 |
|
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31,1,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O,0,1,0,0,0,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl,0,0,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
C(CC(=O)O)CO,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C,0,0,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CN=CN7)N)O,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0 |
|
CC(=O)OC1=CC=CC=C1C(=O)O,1,1,0,0,1,1,1,1,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,1,0,1,1,1,0,1,1,1,1 |
|
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],1,0,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,0,0,0,0,1,1,0 |
|
C(CCCC(=O)O)CCCC(=O)O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
COC(=O)CCC(=O)CN.Cl,0,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N,1,0,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3],0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5C=NC=N5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,1,1,1,1,1,1,1,0,0,1,1,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
C1=CC(=CC=C1C(CC(=O)O)CN)Cl,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,1,0,0,0,0,1,1,0 |
|
CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC,0,0,0,1,1,1,1,0,1,1,0,1,1,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C,0,0,0,1,1,1,1,0,1,1,0,1,1,0,0,0,1,0,1,1,1,0,0,0,0,1,0 |
|
CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,0,0,1,0,0,0,1,1 |
|
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O,1,1,0,0,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCOC(=O)C1=CC=C(C=C1)N,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0 |
|
CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,1,1,0 |
|
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4,0,1,0,1,1,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,1 |
|
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,0,0,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,1,1,0,0,0,0,1,0,0 |
|
CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,0,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3,0,1,0,1,1,1,1,0,0,1,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,0 |
|
CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-],0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O,0,1,0,1,1,1,1,0,0,1,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1 |
|
CCCCCCOC(=O)CCC(=O)CN.Cl,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0 |
|
CCC(C(=O)N)N1CCCC1=O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,0,1,1,1,1,1,1,1,1,1,0,1,1 |
|
CNCCC1=CC=CC=N1,0,0,0,0,0,0,1,0,1,0,0,1,0,1,1,0,1,0,0,1,1,0,0,0,1,1,1 |
|
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1 |
|
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,0,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C[N+](C)(C)C)OC(=O)N,0,0,0,1,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1 |
|
CCC(C1=CC(=CC=C1)O)C(C)CN(C)C,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(C)OC(=O)CCC/C=C/CC1C(CC(C1/C=C/C(COC2=CC=CC=C2)(F)F)O)O,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC8=CC=CC=C8)N)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1 |
|
CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,0,1,0,0,0,1,1,0,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N,1,1,0,0,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,1,1,0,1,1,0,0,0,1,1,1,0 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)N,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,1,1 |
|
C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl,1,0,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O,0,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
C1C(C(C(C(N1CCO)CO)O)O)O,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC[N+](C)(C)CC1=CC=CC=C1Br,0,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,0 |
|
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br,0,1,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,1,1,1,1,0,0,0,1,1,1 |
|
C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1 |
|
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
CN(CC1=CC(=CC(=C1N)Br)Br)C2CCCCC2,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0 |
|
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O,0,1,0,1,1,1,1,0,0,0,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CNC(=O)OCCOC)O)C(=O)O)O)O)NC(=O)C,0,1,0,0,1,1,0,0,1,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1 |
|
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,0 |
|
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,0,1,1 |
|
CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C,0,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CS(=O)(=O)OCCCCOS(=O)(=O)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC(C)C1(C(=O)NC(=O)NC1=O)CC,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,0 |
|
CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,0,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,0,1,0,0,1,0,0,1,0,1,1 |
|
CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2,1,0,0,1,1,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,1,0,1,1,1,0 |
|
C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,0,1,0,1,1,1,1,1,0,0,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,1,0,1,0,1,1 |
|
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,0,1,1,1,1,1,0,0,1,1,1,1 |
|
CC(C[N+](C)(C)C)OC(=O)C,0,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,1,1,0,1,0,0,1,0,1,1,1 |
|
CN1C=NC2=C1C(=O)N(C(=O)N2C)C,0,1,0,1,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,1,0,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,0,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)CC(CCCN)N)CO)N)N,1,1,0,0,1,0,0,0,1,0,0,1,0,0,0,1,1,0,1,0,0,1,0,1,0,0,1 |
|
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,0,0,0,1,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,1 |
|
CC(CS)C(=O)N1CCCC1C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,0,1,1,1 |
|
C[N+](C)(C)CCOC(=O)N,0,0,0,1,0,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C,0,1,0,1,1,0,1,0,1,1,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0 |
|
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,0,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCC(C)(COC(=O)N)COC(=O)NC(C)C,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0,1,1,1,0,0,1,1,1,1 |
|
CC1=CN=C(C=[N+]1[O-])C(=O)O,0,0,0,0,0,1,1,0,1,0,0,1,0,1,1,0,1,0,0,1,0,0,0,0,0,1,0 |
|
C(CCl)NC(=O)N(CCCl)N=O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O,0,1,0,1,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1,0,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,1,0,1,1 |
|
C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N.C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,1,0,0,1,0,1,0,1,0,0,0,0,0,1,0,1,0,1,1,0,1,0,1,1,1,0 |
|
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-],1,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1 |
|
C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],1,1,0,0,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-],1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1 |
|
C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],0,1,0,0,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,1,1,0,1,1,0,0,0,1,1 |
|
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],1,1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1 |
|
C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O,1,1,0,0,1,0,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O,0,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1 |
|
CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-],1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,0,1,0,1,1,0,1,0,0,1,0,1,1,0,1,0,1,0,0,1,1,0,0,0,1,1,0 |
|
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O,1,0,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1 |
|
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0 |
|
[CH2]CC=O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1 |
|
CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)COC,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)N,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0 |
|
CC1OC2(CN3CCC2CC3)CS1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,1,1,0,1,1,0,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,0,1,1,1 |
|
CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O,0,0,0,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0,0,0,1,1,0 |
|
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O,1,0,0,0,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,0,1,0,0,0,0,1,0 |
|
C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl,0,0,0,0,0,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,0,0,0,0,0,1,1 |
|
C1=CN=CC=C1N,0,0,0,0,0,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,0,1,1 |
|
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,0,1,0,0,1,1,1,1 |
|
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,0 |
|
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2,0,1,0,1,0,0,1,1,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,1,1,0,0,0,0,1,0,0,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1 |
|
C(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0 |
|
C1=CC2=C(C=C1Cl)NC(=O)O2,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0 |
|
[Se],0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC1=CC(=O)N(C(=C1)C2CCCCC2)O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0 |
|
CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(N=CN1)CSCCNC(=NC)NC#N,1,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1 |
|
CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,0,1,0,1,0,0,1,0,1,0,0,1,0,0,0,1,1,0,0,0,1,0,0,1,0,1,0 |
|
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
[NH2-].[NH2-].Cl[Pt+2]Cl,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C,0,1,0,1,0,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl,1,0,0,0,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,0,1,1,1,1,1,1 |
|
CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,0,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,0 |
|
CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl,0,1,0,1,0,1,0,0,1,0,0,1,1,0,0,0,1,0,1,0,1,1,0,0,0,1,1 |
|
CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl,0,1,0,1,1,1,0,0,1,0,0,1,1,0,1,0,1,0,1,0,0,1,0,0,0,0,1 |
|
CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,1,1,0,1,1,0,0,0,1,0 |
|
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=C(C=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O,1,1,0,0,1,0,1,0,1,0,0,0,0,0,1,1,1,0,1,1,0,0,0,0,0,1,1 |
|
COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O,0,0,0,1,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0 |
|
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4,0,0,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,0,0,1,0,0,0,1,0 |
|
CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F,0,0,0,1,1,0,1,0,1,0,0,0,0,0,1,1,1,0,1,0,1,0,0,0,1,1,1 |
|
CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,1,0,0,1,1 |
|
CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0 |
|
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0,0,0,1,1 |
|
C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O,1,1,0,0,1,1,1,0,0,0,0,1,0,0,0,0,1,1,0,0,0,1,0,0,0,1,1 |
|
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,0,1,0,1,0,0,0,1,0 |
|
CCC[C@@H](C(=O)OCC)N[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC[C@@H](C(=O)OCC)N[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,0 |
|
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-],1,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCN(C1=CC=CC=C1C)C(=O)C=CC,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2],0,0,0,0,0,1,1,0,1,0,1,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O,0,0,0,1,1,0,1,0,0,0,0,1,0,1,1,0,1,0,1,0,1,1,0,1,1,1,1 |
|
C1CNP(=O)(OC1)N(CCCl)CCCl,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1,1,1,0,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,0,1,1,1,0,1,1,1,0 |
|
[Li+].[Li+].C(=O)([O-])[O-],0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=CC4([C@]3(C(CC2(C1C(=O)CO)C)O)Cl)C)F,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5,1,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1C(=O)N=C(N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-],1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,0,1,0,1,1,1,1,0,0,1,0,1,0,0,0,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C(=O)C=CN1C)O,1,1,0,1,1,1,1,1,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O,1,0,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,0,1,0,0,0,1,1,1,1,0,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31,1,1,0,1,1,0,1,0,0,1,0,1,1,0,1,1,1,0,0,0,1,1,0,1,1,1,1 |
|
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0,0,1,0,1,0,0,1,0,0,0,1,0 |
|
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,1,1,1,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(CC1=CC=CC=C1)N,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,1,1,1,1,1,0,0,1,1,1 |
|
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC,0,1,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0 |
|
CC(C)C[C@H](CC(=O)O)CN,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,0 |
|
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,0,1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,0,1,1,1 |
|
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,1,1,0,0,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,1,0,1,0,1,0 |
|
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-],1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,0,1,0,1,0,1,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,0 |
|
C1CC(OC1CO)N2C=NC3=C2NC=NC3=O,1,1,0,1,1,1,1,1,1,0,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,1,1 |
|
C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O,0,0,0,0,0,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0 |
|
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C,0,0,0,1,1,0,0,0,0,1,0,1,0,0,1,0,1,1,1,0,0,0,1,0,0,1,1 |
|
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,0,1,0,1,1,0,1,0,0,1,0,1,0,0,0,1,1,0,0,0,1,0,0,0,1,1,1 |
|
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,1,0,1,1 |
|
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)OC,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O,0,1,0,0,1,0,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,0,1,0,1,1,0 |
|
C(C(CS)S)O,0,0,0,1,1,1,1,0,0,0,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0 |
|
C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,0,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C,0,0,0,1,0,0,0,0,1,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0 |
|
C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CCN(CC)C(=S)SSC(=S)N(CC)CC,1,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0 |
|
CCCC(CCC)C(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(CC1=CC=C(C=C1)O)(C(=O)O)N,0,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,0,1,0 |
|
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,1,0,1,0,1,1 |
|
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O,1,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,0,0,0,0,1,1 |
|
C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,0,0,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,0 |
|
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31,1,1,0,1,1,0,1,1,1,1,0,1,1,0,1,1,1,0,0,0,1,1,0,0,1,1,1 |
|
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,0,0,0,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,0,1,0,1,1,1,0,0,1,1,0,1,1,1,1,0,1,0,0,1,1,0,0,0,1,1,0 |
|
C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O,0,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,1,0,1,0,0,0,1,1,0 |
|
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,0,0,1,1,1,0,0,1,1,1 |
|
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
CC[N+](C)(C)C1=CC(=CC=C1)O,0,0,0,1,0,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O,0,1,0,1,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0 |
|
CC(C)[C@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N,0,0,0,0,1,1,1,0,1,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,1,1,0 |
|
CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,0,1,1,0 |
|
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,1,0,1,1,1,0,1,1,1,0 |
|
C(C(OC(F)F)(F)F)(F)Cl,1,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,1,1 |
|
CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,0 |
|
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,1,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,0,1,0,0,1,1,1,1,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1 |
|
CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,0,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,0 |
|
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C,0,0,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,1,1,1,0 |
|
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1,1,0,1,1,0,1,0,1,0,0,1,0,0,0,0,1,1,1,0,1,1,0,1,1,1,1 |
|
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O,1,1,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,1,1,1,1 |
|
C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,0,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,1,1,1,1,0,0,0,1,1,0 |
|
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+],0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,0,1,0,1,1,1,1,0,1,0,1,1 |
|
CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,1,1,1,1,0,0,0,1,1,0 |
|
CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1 |
|
C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl,1,1,0,1,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,1,0,1,0,1,1 |
|
CCC(CO)NCCNC(CC)CO,1,1,0,1,1,1,1,0,1,0,0,1,0,0,0,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CCC1(CC(=O)NC1=O)C,0,1,0,1,1,1,1,1,1,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,0,1,0 |
|
CCN1C(=O)C(NC1=O)C2=CC=CC=C2,0,0,0,1,1,1,1,0,0,0,1,1,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0 |
|
CC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,1,1,0,1,0,1,1,1,0,0,1,1,0,1,1,1,0,0,0,0,1,1 |
|
CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1OCC2C(O1)C(C(C(O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O,1,1,0,1,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,0,0,0,0,1,1,1 |
|
C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,1,0,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O,1,1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,0,0,0,0,1,1,0,0,1,1,1,1,0,0,1,0,1,0,1,1,1,0,0,0,0,1,1 |
|
CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CCC4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-],0,0,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,1,1,1,0 |
|
C1CCNC(C1)C[NH2+]C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@@H]1C2C(C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@H](C)O.O.O.O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,0 |
|
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,0,1,0,0,0,1,1 |
|
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1=NC(=O)NC(=C1F)N,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)F,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(N=C2N)F,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,0,1,1,0,1,1,1,1 |
|
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C,0,1,0,1,0,0,1,0,1,1,0,1,0,1,1,0,1,1,0,1,1,0,0,1,1,1,1 |
|
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F,0,0,0,1,0,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,0 |
|
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C,0,1,1,1,1,1,1,0,1,0,0,1,0,0,0,0,1,0,1,1,1,0,0,1,0,1,1 |
|
C1=CC(=C(C(=C1)CC(=O)O)N)C(=O)C2=CC=C(C=C2)Br,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,0,0,0,1,0 |
|
CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,1 |
|
C1=C(C(=O)NC(=O)N1)F,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,0,1,0,1,1,1 |
|
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F,1,0,0,0,1,0,1,0,1,1,0,0,1,0,1,1,1,0,0,0,1,0,0,0,0,1,0 |
|
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F,0,1,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 |
|
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF,0,1,0,1,1,1,1,1,1,0,1,1,1,0,1,0,1,0,1,1,1,0,0,0,0,1,1 |
|
CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,0,1,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0,0,1,1 |
|
CC1=CNN=C1,0,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O,0,0,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,0,0,0,0,0,1,1 |
|
CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,1,0 |
|
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C(=O)([O-])P(=O)([O-])[O-],0,1,0,1,1,1,1,0,0,0,1,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,1,0,1,1,1,1,1,1,1,0,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C,1,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,0,0,1,1,0,1,1,1,1 |
|
CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CCC(CC1)(CC(=O)O)CN,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCC(C)(C)C(C=CC1C(CC(=O)C1CCCCC=CC(=O)OC)O)O,0,0,0,0,1,1,1,0,1,1,0,1,0,1,1,0,0,0,0,1,0,0,0,0,1,1,0 |
|
CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,1,0,1,1 |
|
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCCN)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4C=NC=N4)C(=O)O)CC(C)C)CO)CO)CO)CO,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0 |
|
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,1,1,0,1,1,1,1,0,1,0,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-],0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,1,1,0,1,0,1,1,0,1,0,0,1,1,0,1,1,1,1,0,1,1,1,0,1,0,1,1 |
|
CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,1,0,1,1,1 |
|
C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,1,0,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1,0,1,0,1,1,0,0,0,1,0 |
|
C1=CC(=CC(=C1)I)CN=C(N)N,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,1 |
|
C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl,0,1,1,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,0 |
|
CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,1,0 |
|
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C,1,1,0,0,1,1,1,0,0,0,0,1,0,0,0,1,1,1,1,1,0,1,0,0,0,1,1 |
|
C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,1,1,0,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1 |
|
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O.CS(=O)(=O)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C,0,0,0,1,0,1,1,0,0,0,0,1,1,0,1,0,1,0,1,0,0,0,0,0,0,1,0 |
|
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1 |
|
CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C,1,1,0,1,1,1,1,0,0,1,0,1,0,0,0,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1,0,0,0,1,1,1 |
|
C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O.CC(=O)O,0,1,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1 |
|
C1=CC(=CC=C1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.[Na+].[Na+],0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,1,1,0,0,0,0,1,0,1,0 |
|
C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
C=CCN.C1C(O1)CCl.Cl,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,0,1,1 |
|
C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N.C(C(CO)(CO)N)O,0,0,0,1,0,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,1 |
|
C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N,0,0,0,1,0,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,1 |
|
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CC(=O)N)N,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,1,1,0,0,0,1,0,0,1,0 |
|
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O,0,0,0,1,1,0,1,0,0,0,0,1,0,1,1,0,1,1,1,1,1,1,0,0,1,1,1 |
|
CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C,0,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0 |
|
C1=CC=C2C(=C1)C=NN=C2NN,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,0,1,1,0,1,0,1,0 |
|
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,0,1,1,0,0,1,1,1,1 |
|
C(=O)(N)NO,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,0,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,1,0,0,0,1,0,0,0,0,1,1 |
|
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+],1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)CCNN,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,0,1,0,1,1,1,1,0,1,0,0,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O,1,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1,1,1,0,0,1,0,0,1,1,1 |
|
C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0 |
|
C1CN(P(=O)(OC1)NCCCl)CCCl,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31,1,1,0,1,1,0,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F,0,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N,1,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,0,0,0,1,1,1,1,0,1,0,0,1,1,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O,0,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I,0,0,0,1,1,1,1,0,1,1,0,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I,0,0,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I,1,1,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O.CNC[C@@H](C1=CC(=CC=C1)O)O.Cl,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1 |
|
C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO,0,1,0,1,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I,0,0,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I,1,1,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,0,1,0,1,1,1,0 |
|
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Fe],0,0,0,1,1,1,1,0,0,0,0,1,1,0,1,0,1,0,0,0,1,0,0,1,1,1,0 |
|
CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C,0,0,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,1,1,1,1,1,1,1,1,1,0 |
|
B([C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7,1,1,0,1,1,1,1,0,1,0,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,0,0,0,0,0,0,1,1,1,1,1,1,1,0,1,0,1,1,1,0,0,0,1,0,0,1,1 |
|
CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,1 |
|
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2,0,0,0,1,0,0,1,0,0,1,0,1,1,0,1,0,1,0,0,0,1,1,0,0,1,1,1 |
|
C(C(F)(F)F)(OC(F)F)Cl,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,0,1 |
|
C1=CN=CC=C1C(=O)NN,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,0,1,0,0,0,0,1,1 |
|
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1,1,1,1,0,0,0,0,1,1 |
|
CC(C)NCC(C1=CC(=C(C=C1)O)O)O,0,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,0,0,1,1,1,1 |
|
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-],0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0 |
|
C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,0,1,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,0 |
|
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C,0,1,0,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CNC1(CCCCC1=O)C2=CC=CC=C2Cl,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1 |
|
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
[NH+](=O)[O-].[Na+],0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0 |
|
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1,1,1,0,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,0 |
|
C1=COC(=C1)CNC2=NC=NC3=C2NC=N3,0,0,0,1,1,0,0,0,1,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1 |
|
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3],0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)CC(C(=O)O)O,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0 |
|
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)N)O.CC(=O)O,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,0,1,1,0 |
|
C1=NC2=C(N1)C(=S)N=C(N2)N,1,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0 |
|
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,0,1,1,1,0,1,1,1,0 |
|
C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O,0,1,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C1C(OC(S1)CO)N2C=CC(=NC2=O)N,1,1,0,1,1,1,1,0,1,1,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O,1,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,0 |
|
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C,0,1,0,1,0,0,0,0,1,0,0,1,1,0,0,0,1,0,1,1,0,1,0,0,0,1,0 |
|
[Li+],0,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,0,1,1,0,1,1,1,1 |
|
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O,0,1,0,1,0,0,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,0 |
|
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O,1,0,0,1,0,1,1,1,0,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
[Ra],0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0 |
|
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O,1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,0,1,0,1,1,0,0 |
|
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=NC2=C(N1)C(=S)N=CN2,1,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,0 |
|
[Li+].[OH-],0,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,0,1,1,0,1,1,1,1 |
|
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CCC(CC1)NC(=O)N(CCCl)N=O,1,1,0,1,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,0 |
|
CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,0 |
|
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,0,1,1,0,1,1 |
|
CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-],0,0,0,1,1,0,1,0,1,0,0,1,0,1,1,0,1,1,1,1,0,0,0,0,1,1,1 |
|
C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4,0,1,0,1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,1,1,1,0,0,1,0,1,1 |
|
C1=CC(=CC=C1CN)S(=O)(=O)N,0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,1,0,1,0,0,0,0,0,1,1 |
|
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1 |
|
CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24,1,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC,1,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1,0,1,1,0,1,0,1,1,1,1 |
|
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3,1,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1 |
|
CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,0,1,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0 |
|
CC1(C2CCC(C2)C1(C)NC)C,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1,0,0,0,1,1 |
|
CN(CCCl)CCCl,1,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1,1,1,0,1,1,0,1,0,0,1 |
|
CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0 |
|
CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,0,1,1,0,1,1,1,0 |
|
CC1OC2=C(O1)C=C(C=C2)C(C)(C)C,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0 |
|
CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O,0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,0,0,1,0,0,0,0,1,1,0 |
|
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,1,1,0,1,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,1,1,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C,0,1,0,0,1,0,1,0,0,1,1,1,1,0,1,0,1,0,1,1,1,1,0,0,1,1,0 |
|
CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)[O-].[Na+],1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
CC12CC3CC(C1)(CC(C3)(C2)N)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,0,0,0,1,0,0,1,0,1,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,0 |
|
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,0,1,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,1,0,0,1,1,1,1,0,1,0,1,1,0,0,0,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C,0,1,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCC(C)(COC(=O)N)COC(=O)N,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0 |
|
C1=CC(=C(C=C1N)C(=O)O)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3],0,0,0,1,1,1,1,0,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CNCCC2=C1C=C(C=C2)Cl,0,1,0,1,0,1,1,1,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
CC(C)NCC(C1=CC(=CC(=C1)O)O)O,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
CN(C)C(=N)N=C(N)N,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O,0,1,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,0,0 |
|
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,1 |
|
C1N2CN3CN1CN(C2)C3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0 |
|
CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3,0,0,0,0,1,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0 |
|
COC1=CC=CC=C1OCC(COC(=O)N)O,1,0,0,1,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,0,0,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,0,1,0,0,1,1,1,1 |
|
C(C1C(C(C(C(O1)O)F)O)O)O,0,1,0,0,0,0,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC1C(O1)P(=O)(O)O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,1,0,1,1 |
|
C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C,0,0,0,1,0,0,1,0,1,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,0 |
|
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,0 |
|
O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+],0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,1,0,1,0 |
|
C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2],1,0,0,0,1,1,1,1,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,1,1,1,1 |
|
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N,1,0,0,0,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2,1,0,0,1,1,0,1,0,1,0,0,1,0,0,1,1,1,1,0,1,1,1,0,0,1,1,0 |
|
CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,0,1,0,0,0,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,1,1,1,1,1 |
|
COC(=O)C(C1CCCCN1)C2=CC=CC=C2,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C,1,0,0,0,1,0,1,0,1,1,0,0,1,0,1,1,1,0,0,0,1,0,0,0,0,1,0 |
|
CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C,0,0,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0 |
|
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
CC1=NC=C(N1CCO)[N+](=O)[O-],1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2,0,0,0,0,1,0,1,0,0,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0 |
|
CC1=C(C(=CC=C1)C)OCC(C)N,1,0,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42,1,0,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,0,0,1,1,1,1 |
|
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,0,0,0,0,0,1,0 |
|
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,0,0,0,1,1,1,1,1,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O,1,0,0,1,1,1,1,0,0,0,0,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O,0,1,0,0,1,1,1,1,1,1,1,1,1,0,1,0,1,0,1,1,1,0,1,0,0,1,1 |
|
CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2,0,1,0,0,1,0,0,0,1,0,0,1,0,0,1,1,1,1,0,1,0,0,0,0,1,1,0 |
|
C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O,0,1,0,0,1,0,1,0,0,1,0,1,1,0,1,1,1,0,0,1,0,0,0,0,1,0,0 |
|
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,0,1,1,0,1,0,1,1 |
|
C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N,1,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,0 |
|
C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,0 |
|
C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,0,1,1,1,0,0,1,0,1,1 |
|
C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0 |
|
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O,1,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[NH+](C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C(=C(N)[O-])C1=O)O)[O-])O)N(C)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl,1,1,0,1,1,1,1,0,1,1,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O,0,0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,0,1,0,1,0 |
|
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1C(OCCN1C)C2=CC=CC=C2,0,1,0,1,1,0,1,0,0,0,0,0,0,0,1,0,1,0,0,1,1,1,0,0,1,1,0 |
|
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O,0,0,0,1,0,1,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,0,0,1,1,1,1 |
|
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCOCCP(CCOCC)CCP(CCOCC)CCOCC,0,0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1 |
|
CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)[O-],1,0,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[In],0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0 |
|
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(=O)[C@@H]([C@H](C(=O)C)O)O,1,1,0,0,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
CCO/N=C(/C1=NSC(=N1)NP(=O)(O)[O-])\C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1 |
|
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)([O-])[O-])C4=CC=C(C=C4)F.C[NH2+]C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C[NH2+]C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.O.O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1(O[C@@H]2C[C@H]3C4CCC5=CC(=O)C=CC5([C@H]4C(CC3([C@@]2(O1)C(=O)CO)C)O)C)C,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0,1,1,1,0,0,0,0,1,0 |
|
C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-],0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5,1,1,1,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,0,0,1,1,0,0,1,1 |
|
CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0 |
|
CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1,1,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,1,1,0,1,1,1,1 |
|
C1CNC[C@@H]1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C\5/NSC(=N5)N)/N=O)SC3)C(=O)O)/C2=O,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Mn+2],0,0,0,0,1,0,1,0,1,1,1,1,0,0,1,0,1,0,1,0,0,0,0,0,1,1,0 |
|
CCC(C)[C@@H]1[C@H](CC[C@@]2(O1)CC3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1CC[C@]2(CC3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C(C)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.Cl.[Cl-],0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,1 |
|
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4,0,1,0,1,1,1,1,0,1,0,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1 |
|
CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC,1,1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,0 |
|
CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O,0,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,0 |
|
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,1,1,1,1,1 |
|
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,1,1,0,1,0,1,1,0,1,0,0,1,0,0,0,1,1,1,0,0,1,0,0,1,0,1,1 |
|
C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1 |
|
C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,0,1,1,1,1,1 |
|
CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C,1,1,0,0,1,1,1,0,0,1,0,1,1,0,1,0,1,0,1,1,1,0,0,0,0,0,1 |
|
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,0,0,1,1 |
|
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C,0,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,0,0,1,0,1,1,0,1,0,0,1,1,1 |
|
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,0 |
|
CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1 |
|
COC(=O)C=CC(=O)O,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0 |
|
CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 |
|
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,1,1,0,0,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,0,1,0,0,0,1,1 |
|
CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC,0,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)Cl,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N.C(=O)(C(F)(F)F)O,0,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,1,1 |
|
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 |
|
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=CC=C1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3,1,0,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,0 |
|
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],0,1,0,1,1,0,1,1,1,1,0,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CN\1C=CC=C/C1=C\[NH+]=O,0,0,0,1,1,1,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1,0,0,0,1,1,0 |
|
CC1(C(NC(S1)C(C(=O)NCCCCCC(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0 |
|
CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34,1,0,0,1,1,1,1,1,1,1,1,1,1,0,1,0,1,0,0,1,1,1,1,0,1,1,1 |
|
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34,0,1,1,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,1,1,0,1,1,0,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,0,0,0,0,0,1,1,0 |
|
C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN,1,1,0,0,1,1,1,0,0,0,0,1,1,0,1,1,1,0,1,0,1,0,0,1,1,1,0 |
|
C1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3,0,1,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O,0,0,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0 |
|
CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1(C2C(C3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.CC1(C2C(C3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.[Ca+2],0,1,0,0,0,1,1,0,1,1,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0 |
|
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C,0,1,0,0,0,0,1,0,1,1,0,0,0,0,1,1,1,0,1,1,1,0,0,1,0,1,0 |
|
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO,1,1,0,0,1,0,1,0,0,0,1,1,0,0,1,1,1,0,1,1,0,0,0,0,1,1,1 |
|
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,1,1,0,0,0,1,1,0,0,1,1,0 |
|
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,0,0,1,1,1,1 |
|
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C/3\C=CC(=O)C(=C3)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-],1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,0,1,0,0,0,0,0 |
|
C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2],1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C,1,1,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3,1,1,0,1,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,1,0,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,0,0,1,1,0,1,0,1,0 |
|
C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl,0,1,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC(C)NCC(COC1=CC=CC=C1OCC=C)O,0,1,0,1,0,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 |
|
CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O,0,1,0,1,1,1,1,1,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,1,0,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,0,1,0,0,0,0,0,0 |
|
CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O,1,1,0,1,1,0,1,1,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=C(C=C1N)O)C(=O)O,1,1,0,0,1,1,1,0,1,0,1,0,1,0,1,1,1,0,1,0,0,1,0,0,1,1,0 |
|
CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,0,0,0,0,1,1,1 |
|
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+],1,1,0,1,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C,0,0,0,0,0,1,1,0,1,0,0,1,0,1,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
CC(C)(CO)C(C(=O)NCCCO)O,0,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,1,0,0,1,1,0,0,0,0,1,0 |
|
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC,1,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,0 |
|
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0 |
|
C(=O)([O-])[O-].[Na+].[Na+],0,1,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0 |
|
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COC1=CC=CC=C1OCC(CO)O,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0 |
|
CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,0 |
|
C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N,1,0,0,0,1,0,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(C)(C(C(=O)O)N)S,1,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,0,1,1,1,0,1,0,1,1 |
|
CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,0,1,0,1,0,0,0,1,0 |
|
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N,1,1,0,1,1,1,1,0,1,0,0,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,1,1,1,1,1 |
|
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 |
|
C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
C1=C/C(=C/2\N/C(=C\3/C=CC=CC3=O)/N(N2)C4=CC=C(C=C4)C(=O)O)/C(=O)C=C1,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,1,0,1,0,1,1 |
|
CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3,1,1,0,1,1,1,1,1,0,0,0,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1 |
|
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,1,1,1,0,0,1,0,0,0,1,0 |
|
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,1,1,0,0,1,1,1,1,1,0,0,1,0,0,1,1,1,1,0,1,1,1,0,1,1,1,0 |
|
CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2,0,0,0,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,1,0 |
|
CC(C)(CC1=CC=CC=C1)N,0,0,0,0,0,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,0 |
|
C1=CC=C(C=C1)CCCC(=O)O,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1 |
|
CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CNCC(C1=CC(=CC=C1)O)O,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,0 |
|
C=CC1=CC=CC=C1S(=O)(=O)O,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1 |
|
CC(C(C1=CC=CC=C1)O)N,1,0,0,1,1,0,1,0,1,0,0,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,0 |
|
C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N,0,1,0,1,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,1,0,1,0 |
|
CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1 |
|
CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C,1,0,0,0,1,1,0,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
CCC1C(COC1=O)CC2=CN=CN2C,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C=CCN.C1C(O1)CCl,0,1,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0 |
|
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O,0,0,0,1,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,0 |
|
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-],1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC,1,1,0,1,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,1 |
|
CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O,0,0,0,0,1,0,1,0,1,1,1,1,0,0,1,0,1,0,0,0,1,1,0,0,0,1,1 |
|
CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0,0,1,0,1,0,0,0,1,0 |
|
CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,0,1,1,0,1,0,1,0 |
|
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CN=CN6)N)C(=O)O,0,1,0,0,1,0,1,0,1,0,1,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1 |
|
CCCNC1CCC2=C(C1)SC(=N2)N,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,1,1,1,1 |
|
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC,0,0,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1 |
|
CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,1,1,1,1,0,0,1,1,1,1 |
|
CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,1,1,1,1,0,0,1,1,1,1 |
|
CC12CC(C3C(C1CCC2(C(=O)COP(=O)(O)O)O)CCC4=CC(=O)C=CC34C)O,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCNC(C)C(=O)NC1=CC=CC=C1C,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,1,1,1,1 |
|
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0 |
|
CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,0,1,0,1,0,1,1,0,0,0,0,1,0,0,0,1,1,1,0,0,1,0,0,1,0,1,0 |
|
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,0,0,1,0,0,0,1,0 |
|
CCN(CC)CCNC(=O)C1=CC=C(C=C1)N,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N,0,1,0,1,1,0,1,0,1,0,0,1,0,1,1,0,1,1,0,1,1,0,0,1,1,1,1 |
|
CC(C)NC(=O)C1=CC=C(C=C1)CNNC,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1 |
|
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl,1,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,0,1,1,0,0,0,0,1,0 |
|
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C,1,1,0,1,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O,1,1,1,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C,0,0,0,1,0,0,1,0,1,1,0,1,0,0,1,0,1,0,0,0,1,1,0,0,1,1,1 |
|
CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N,1,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC(C)C1=C(C(=CC=C1)C(C)C)O,0,1,0,1,1,1,1,1,1,0,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,0,1,1,0,1,1,1,1,0,1,1,1,0 |
|
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C(N)[O-])C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)N(C)C)[O-].[Ca+2].[Ca+2],1,1,0,0,0,1,1,0,1,1,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0 |
|
C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,1,0 |
|
CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13,1,1,0,1,1,0,1,0,0,1,0,1,1,0,1,1,1,0,0,0,1,1,0,1,1,1,1 |
|
C1C[N+]2(CCC1[C@@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5,0,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,0,0,1,1,0 |
|
CN1CCCN=C1C=CC2=CC=CS2,0,1,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0 |
|
C[N+]1=CC=CC(=C1)OC(=O)N(C)C,0,0,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,0,1,0,1,0,0,0,0,0 |
|
C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0 |
|
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC(C(=O)[O-])O.[NH4+],0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CCNC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1C=C[C@H](CCC2=CC=CC=C2)O)O)O,0,1,0,1,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C(C1=CC=CC=C1)O)NC,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,0 |
|
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C,1,0,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,0 |
|
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N,1,1,0,1,1,1,1,0,0,1,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC,0,0,0,1,0,1,1,0,1,1,1,1,1,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,0,1,0,1,1,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,0 |
|
C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C12CC3CC(C1)CC(C3)C2)N,0,1,0,1,0,0,1,1,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1 |
|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[La+3].[La+3],0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,1 |
|
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3],0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1 |
|
CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1,1,0,0,0,0,1,0,1,0,0,1,0,0,0,1,1,0,1,1,1,0,0,1,0,1,1 |
|
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl,0,0,0,1,0,1,1,0,1,0,0,1,0,0,0,0,1,0,0,0,1,1,0,1,1,1,1 |
|
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCCCOP(=O)(C)O)NC(=O)OCCOC,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,1,1,0,0,1,1,1,1,1,1,0,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1 |
|
CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,0,1,0,1,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,0,1,0,0,1,1,1,1 |
|
C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,0,1,0,1,1,1,1,0,1,1,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO,1,1,0,0,1,1,1,1,1,1,0,1,1,0,0,1,1,0,1,1,1,1,1,0,0,1,1 |
|
C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O,1,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,1,0,0,1,0,1,0,1,0,0,1 |
|
C[C@H]1[C@H](O1)P(=O)(O)[O-].C(C(CO)(CO)[NH3+])O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,1,0,1,1 |
|
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4,0,0,0,1,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,1,0,1,1,1,1 |
|
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,1,0,0,0,1,0,1,1,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 |
|
CC(CC1=CC=CC=C1)N(C)CC#C,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C(OC(C(F)(F)F)C(F)(F)F)F,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,0,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CN=C(N=C1)[NH2+]S(=[OH+])(=O)C2=CC=C(C=C2)N.[Ag+],1,0,0,0,0,1,1,1,1,0,0,0,0,0,0,1,1,0,1,0,0,1,0,0,0,1,0 |
|
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,1,1,0,1,1,1,1,1,1,0,0,1,1,0,1,1,1,0,1,0,1,1,0,1,1,1,1 |
|
C[C@H]([C@@H](CO)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)O.CC(=O)O.CC(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
[Na+].[I-],0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0 |
|
C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCCCCCCCCCCCOS(=O)(=O)O,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1,1 |
|
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,0,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,0,0,1,1,0,0,0,1,1 |
|
C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N,0,0,0,1,0,0,1,0,1,1,0,1,1,0,1,0,1,0,0,0,1,0,0,0,0,1,1 |
|
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O,0,0,0,1,1,1,1,0,1,0,0,1,0,0,0,1,1,0,0,0,0,1,0,1,0,1,0 |
|
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,1,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1 |
|
CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,1,1,0,0,1,0,1,0,0,0,1,1,0,0,0,1,1,1,0,0,1,1,0,0,0,1,1 |
|
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO,1,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 |
|
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,1,0,1,0,1,0,0,1,1,1 |
|
C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,1,0,0,1,0,1,0,0,1,0,0,1,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0 |
|
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=CC=C1N)S(=O)(=O)N,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0 |
|
COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl,0,1,0,0,1,1,1,0,0,1,0,1,0,0,0,0,1,0,1,1,1,1,0,0,1,1,0 |
|
CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,0,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O,0,0,0,1,1,0,0,0,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0 |
|
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C,0,1,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0 |
|
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1,0 |
|
CN1C(=O)N2C=NC(=C2N=N1)C(=O)N,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O,1,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
CC1=C2[C@@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,1,0,1,1 |
|
CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,1 |
|
CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl,0,0,0,0,1,1,1,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0 |
|
CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C,0,1,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,1,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,0,0,1,0 |
|
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,1,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,0,0,1,0 |
|
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,0,0,0,1,0,0,1,0,1,0,0,1,0,1,1,0,1,0,0,0,1,0,0,1,1,1,1 |
|
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC,0,1,0,0,0,0,0,0,0,0,0,1,1,0,1,0,1,0,1,0,0,1,0,0,0,1,1 |
|
C1CC(C2=CC=CC=C2C1)C3=NCCN3,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0 |
|
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,1,1,0,1,0,1,1,0,1,0,0,1,0,0,1,1,1,0,0,0,1,1,0,1,0,1,1 |
|
C1[C@H](CN2[C@@H]1C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O,1,1,0,0,1,1,1,0,0,0,0,1,1,0,1,1,1,0,1,0,1,0,0,1,1,1,0 |
|
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,0 |
|
C1CN1P(=S)(N2CC2)N3CC3,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O,1,0,0,1,1,1,1,0,0,1,1,1,0,0,1,0,1,0,1,1,0,0,0,0,1,1,0 |
|
C1C(O1)CCl.C(CNCCNCCNCCN)N,1,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0,1,1,0 |
|
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O,0,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1 |
|
CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O,1,1,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C(=O)NCC(=O)O)S,1,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,0 |
|
CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O,0,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,0 |
|
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@]12CCC3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C,0,0,0,0,1,0,0,0,1,1,1,1,0,0,0,0,1,0,0,0,1,0,0,0,1,1,0 |
|
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,1 |
|
CC/C=C/CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,0,0,1,0,0,0,1,1,1 |
|
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,1,1,0,0,0,0,1,0,0,0,0,1,1,0,0,1,1,1,0,0,0,0,0,1,0,1,0 |
|
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,1,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0 |
|
C[C@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-],1,0,0,1,1,0,1,0,1,0,0,1,0,0,0,1,1,0,1,1,0,1,0,1,1,1,0 |
|
CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,0,1,1,0,1,1,1,0 |
|
CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,0,0,0,1,1,1,0 |
|
CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3,1,1,0,1,1,1,1,0,0,1,1,1,1,0,1,1,1,0,0,1,1,0,0,1,1,1,0 |
|
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CCC2=C(C1)C=CC=C2NC3=NCCN3,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0 |
|
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CC(CCC1CN)C(=O)O,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1 |
|
C1C(C1N)C2=CC=CC=C2,1,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,0,0,1,1,0,1,1,1,0 |
|
C[C@@]1(C2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC[C@@H](C(=O)O)N)N(C)C)O,1,0,0,1,1,0,1,0,1,1,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,1,1 |
|
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl,1,1,0,1,0,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(=O)NCC(=O)O,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0 |
|
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C(CNCCNCCN)N,0,1,0,0,0,1,1,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0 |
|
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O,0,0,0,1,1,0,1,0,0,0,0,1,0,0,0,0,1,0,1,0,1,1,0,0,1,1,0 |
|
CC1(C(=O)N(C(=O)O1)C)C,1,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,0,1,1 |
|
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC,1,0,0,1,0,1,1,0,1,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,1 |
|
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,1 |
|
C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F,1,1,0,1,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=C(C=CC2=C1C(=[NH+]C(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC,1,1,0,0,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0 |
|
CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,1,1,0,1,1,0,1,0,0,1,0,1,1,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O,1,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0 |
|
CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2,0,0,0,1,1,1,1,1,1,0,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,0 |
|
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43,0,1,0,0,0,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C1CCC(CC1)[C@@H]2C[C@H](N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO,0,0,0,0,0,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CC(=O)NCCCS(=O)(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Na+].[Na+].[Fe+3],0,0,0,1,1,1,1,0,0,0,0,1,1,0,1,0,1,0,0,0,1,0,0,1,1,1,0 |
|
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0 |
|
CCCCC[C@H](CC[C@@H]1[C@H](C[C@@H]2[C@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O,0,1,0,0,1,1,1,1,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O,0,1,0,1,0,1,1,0,1,0,0,1,0,0,1,0,1,1,1,1,1,0,0,0,1,1,1 |
|
CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CCOC(=O)O[C@@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1 |
|
C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@H](CCC3=CC=CC=C3)C(=O)O)CC(=O)O,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5,1,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,0 |
|
C=CC(CCC(=O)O)N,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,0,0,1,0,1,1 |
|
CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC,1,1,0,0,1,1,1,0,1,0,1,1,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1 |
|
CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,0,1,1,1,0,0,1,0,0,0,1,1 |
|
CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0 |
|
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC,1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,1 |
|
C1CC(OC1CO)N2C=CC(=NC2=O)N,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
Cl[Zn]Cl,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0 |
|
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N,0,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,0,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,0,1,0,0,1,0,1,1,1 |
|
CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O,0,0,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C,1,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,1,1,0,0,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,0,0,1,1 |
|
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
[N]=O,0,0,0,0,1,0,1,0,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,1 |
|
CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,0 |
|
CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC,1,1,0,1,1,1,1,1,0,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)O.C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5,1,1,0,1,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0 |
|
B1(C2=C(CO1)C=C(C=C2)F)O,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)OCCO)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,1 |
|
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C,1,1,0,0,1,0,0,0,0,1,1,1,1,0,1,0,1,0,1,1,1,0,0,0,0,0,0 |
|
CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,0 |
|
CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O.C(C(CO)(CO)N)O,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,1,0,1,1,1 |
|
CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6,0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O,0,0,0,0,0,1,1,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,1,1,1 |
|
C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+],1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
C(=NC(=N)N)(N)N,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
[O-][99Tc](=O)(=O)=O.[Na+],0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CN4CCOCC4,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,0,0,1,1,1,1,0,0,1,1,1 |
|
CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,0,1,0 |
|
C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3,1,1,0,1,1,1,1,0,0,0,0,1,0,0,0,1,1,0,1,1,1,0,0,0,0,1,0 |
|
CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4CCOC4,1,1,0,1,1,1,1,0,0,0,0,1,0,0,0,0,1,0,1,1,1,1,0,0,1,1,1 |
|
C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N.CS(=O)(=O)O.CS(=O)(=O)O,1,1,0,1,1,0,1,0,1,1,0,1,0,0,1,0,1,1,0,1,1,0,0,0,1,1,1 |
|
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN.C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=CC=C7)N)O,0,1,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,1,0,1,1,1 |
|
CNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)N)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,0,0,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1 |
|
CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1 |
|
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,0,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,0,1,0,1,0,0,0,1,0 |
|
C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,0,0,1,1,1,0,0,1,1,0 |
|
C(CS)N,1,1,0,1,1,1,1,1,1,0,1,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1 |
|
CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C.[Na+],0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,1,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,0,1,1,0,1,1,1,1 |
|
[H+].[H+].CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3],0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,0 |
|
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)[O-].CC(=O)[O-].[Ca+2],0,1,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0 |
|
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O,0,0,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1,0,0,1,1,1,0,0,1,1,1 |
|
C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt],1,1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,0,1,0,1,1,1,1 |
|
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0 |
|
C[C@@H](C(=O)N1CC2=CC(=C(C=C2C[C@H]1C(=O)O)OC)OC)N[C@@H](CCC3=CC=CC=C3)C(=O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
COC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,1,1,0,1,1,1,1,1,0,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,0,0,0,0,1,0,1,0,1,1,0,1,0,0,1,0,1,0,1,1,0,0,1,0,0,1,0 |
|
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O,0,0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0 |
|
[O-2].[O-2].[O-2].[249Cf].[249Cf],0,1,0,1,0,1,1,0,1,0,0,1,0,0,1,0,0,0,1,1,1,0,0,1,1,1,0 |
|
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C,0,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co],0,1,0,1,1,0,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,0 |
|
C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F,1,1,0,1,1,1,1,0,0,0,0,1,0,1,0,1,1,0,1,1,0,1,0,1,1,1,0 |
|
CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,1,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1 |
|
C1CC1NC2=NC(=NC3=C2N=CN3[C@@H]4C[C@@H](C=C4)CO)N.C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,0 |
|
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3],1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])C2=CC=CC=C2.[Cl-],1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F,1,1,0,1,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1 |
|
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1 |
|
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-],0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,1,1,0,1,1,1,1,0,1,0,0,0,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC#CCC(C)[C@@H](C=CC1[C@@H](C[C@H]2[C@@H]1CC(=CCCCC(=O)O)C2)O)O,0,0,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
CN1C=CNC1=S,1,0,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1,0,0,0,0,1,0,1,0,1,0 |
|
C(C(F)(F)F)(C(F)(F)F)(F)F,0,0,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,0,0,1,0,1,1 |
|
CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,0,1,0 |
|
CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,1,1,0,0,1,1,1,0,0,0,1,1,0,0,0,1,1,0,1,1,0,1,0,0,1,1,0 |
|
CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
C1=CC(=C(C=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)O)C(=O)O)O,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3,0,0,0,1,0,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,0,0,1,0,1,1,0 |
|
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,0,1,1,1,0,0,0,1,0 |
|
C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N,1,1,1,0,1,0,1,0,1,0,1,1,0,0,0,1,1,0,1,0,1,1,0,0,0,1,0 |
|
CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1 |
|
CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4,1,1,0,1,1,1,1,0,0,0,1,1,1,0,1,1,1,0,0,1,0,1,0,1,1,1,1 |
|
CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC,1,0,0,0,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,1,0,1,0,0,0,1,0 |
|
CCOC(=O)N1C=CN(C1=S)C,1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,1 |
|
C(C(CO)(CO)N)O,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0 |
|
[O-]S(=O)(=S)[O-],0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,1 |
|
C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-],0,0,0,0,0,1,1,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-],1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5,1,0,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 |
|
C1C2CNCC1C3=CC4=NC=CN=C4C=C23,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,0,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,1,1,1 |
|
CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl.Cl,0,1,0,0,0,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,0,0,0,0,1,1 |
|
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-],1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,0,0,1,1,1,0 |
|
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@H]1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,1 |
|
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1 |
|
O[Fe]=O.O[Fe]=O.[Fe],1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1 |
|
C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,0 |
|
CC(=O)NC1=CC=C(C=C1)O.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.C(CC(=O)O)C(=O)O.OP(=O)(O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl,0,1,0,0,1,1,1,1,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0 |
|
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-],0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0 |
|
CNC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O)F,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0 |
|
CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.Cl,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0 |
|
CC1OC(OC(O1)C)C,1,1,0,0,0,1,1,0,0,0,0,1,0,0,0,0,1,0,1,0,1,1,0,0,0,1,1 |
|
[O-2].[O-2].[O-2].[As+3].[As+3],1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N,0,1,0,0,1,0,1,0,0,0,0,1,0,0,0,1,1,1,1,0,0,0,0,0,1,1,0 |
|
F,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1 |
|
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3,1,0,0,1,0,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1 |
|
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.[Na+].[Fe+3],0,1,0,1,1,1,1,0,1,0,1,1,0,1,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
CCC(=O)[C@]1([C@@H](CC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)C=C[C@]34C)O)C)C)C,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1 |
|
CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O,0,1,0,1,1,0,1,0,0,0,0,1,0,1,0,1,1,0,0,0,1,0,0,0,0,1,0 |
|
COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O,0,0,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,0,1,1,0,1,1,1,1 |
|
CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F,1,1,0,0,1,1,1,0,1,1,1,1,1,0,0,0,1,0,1,1,1,1,0,1,1,1,1 |
|
[Ga+3],0,1,0,1,1,0,1,0,1,0,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)CO,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
CCC1=CC=C(C=C1)C(C)CCC2=CC=C(C=C2)[N+](C)(C)C.[Cl-],1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,0 |
|
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)OC1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O,0,0,0,1,0,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0 |
|
CC(C)C1=NC(=NC(=C1C=C[C@@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-],0,1,0,1,1,1,1,0,1,0,0,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1 |
|
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-],0,0,0,0,1,1,0,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
CCC(C1=CC=CC=C1)C(=O)O,1,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,0,0,1,1,0,1,1,1,1 |
|
CCN(CC)C(C)C(=O)C1=CC=CC=C1,0,0,0,1,1,1,1,0,0,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,1,1,1 |
|
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,0,0,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CC(CCC1OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+].[Na+].[Gd+3],0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C.Cl,1,0,0,0,1,1,1,0,1,0,1,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,1 |
|
CCCCCCC(C)(C)C1=CC2=C(C3CC(=O)CCC3C(O2)(C)C)C(=C1)O,0,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+],1,1,0,0,1,1,1,0,1,0,0,1,1,0,0,1,1,0,1,0,1,1,0,1,0,1,0 |
|
CCCCC[C@@](C)(C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O)O,0,0,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F,1,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])C3=CC=CC=C3.[Na+].[Na+],0,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,0,1,0 |
|
C[C@@H]1CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0 |
|
CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)C(C)C)CC(C)C)CC7=CC=C(C=C7)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC8=CNC=N8)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC9=CNC=N9)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6)[C@@H](C)CC)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN)CO)CC(C)C)CC1=CC=C(C=C1)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)O,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 |
|
CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C,0,1,0,0,1,0,1,0,1,0,0,1,1,0,1,0,1,0,1,1,1,0,0,1,1,1,1 |
|
CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0 |
|
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,1,0,0,0,1,1 |
|
CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N,1,1,0,1,1,1,1,0,1,0,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC12CC[C@H]3C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,0,1,1,1,1,1,1,0,0,1,1,0 |
|
CN(C)C(=O)C(CC[NH+]1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0 |
|
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.C(=O)(C(F)(F)F)O,0,0,0,1,0,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,0,0,1,0,0,1,1 |
|
CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,0,1,0,0,1,0,1,0,1,1,0,1,0,0,1,0,1,1,1,0,0,1,0,0,0,1,1 |
|
CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CON=C1CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 |
|
C(=N)(N)N,0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 |
|
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3CC[C@H](N3)C(=O)N(C)C)C(=O)O)[C@@H](C)O,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
OP(=O)([O-])[O-].[K+].[K+],0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0,0,1,1,1,0,0,1,1,1 |
|
CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)([O-])[O-].[Na+].[Na+],1,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 |
|
C1=CC(=C(C=C1CC(C(=O)O)N)CO)OP(=O)(O)O,0,1,0,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,1,1,0 |
|
COC(=O)[C@@H]1[C@H]2CCC(N2CCCF)C[C@@H]1C3=CC=C(C=C3)I,0,1,0,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0 |
|
CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C,0,0,0,1,1,1,1,1,0,1,0,0,0,1,1,1,1,0,0,1,1,1,0,0,1,1,0 |
|
[Fe],0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
[La],0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1 |
|
[Sm],0,0,0,0,1,1,1,0,1,0,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,0 |
|
[Ag],0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,1,0,0,1,0,0,0,1,0 |
|
[Tc],0,0,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,0,0,0,1,1,1 |
|
CN(C)NN=C1C(=NC=N1)C(=O)N,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,0,1,0,0,0,1,1,1 |
|
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,0,0,1,1,1,1,0,0,0,1,1 |
|
CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N/N=C/3\C=CC=C(C3=O)C4=CC(=CC=C4)C(=O)O)C,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,0 |
|
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)OCC6=C(OC(=O)O6)C,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0 |
|
[Cr],1,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1 |
|
CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl,0,0,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,0,0,1,1,1,1 |
|
[Cu],0,0,0,0,1,1,0,0,0,1,1,1,0,0,1,1,1,0,1,0,0,0,1,0,0,0,0 |
|
[Gd],0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
[Y],0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
[Zn],0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C#CCNC1CCC2=CC=CC=C12,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(C)(C)NCC(=O)NC1=C(C2=C(CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)C(=C1)N(C)C)O,1,1,1,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C1=CC=C(C=C1)COC2=CC=C(C=C2)O,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 |
|
CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O,1,1,0,0,1,1,1,1,1,0,0,1,0,0,0,0,1,1,1,1,1,1,0,0,0,1,1 |
|
CCC[C@]1(CC(=O)C(=C(O1)[O-])[C@H](CC)C2=CC(=CC=C2)[N-]S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4.[Na+].[Na+],1,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,0,0,1,1 |
|
C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0 |
|
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,0,1,1 |
|
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2],1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,0,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,0,1,1 |
|
S=[Se]=S,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F,0,0,0,1,1,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0 |
|
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0 |
|
CCC1CCC[C@@H](C(C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CCC([C@H](O6)C)N(C)C.CCC1CCC[C@@H](C(C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CCC([C@H](O6)C)N(C)C,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CC[C@@H]1C=C(C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)C(=C[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)C)O)C)OC)OC)C)C,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,0,0,0,1,0,1,1 |
|
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC(C)[C@@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C(CO)N,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,0,0,1,1,1,1 |
|
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,0,0,0,0,0,1,1 |
|
CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NC3C(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C2C=C1)Cl)O)O)O)C(=O)O)(C)N)O,0,1,0,0,1,1,1,0,1,0,0,1,0,0,0,1,1,0,1,1,0,0,0,0,1,1,1 |
|
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N,0,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,1,0,0,0,1,1,1 |
|
CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,1,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN,0,1,0,1,1,1,1,1,1,0,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])S[C@H]3C[C@@H](O[C@@H]3COP(=O)([O-])S[C@H]4C[C@@H](O[C@@H]4COP(=O)([O-])S[C@H]5C[C@@H](O[C@@H]5COP(=O)([O-])S[C@H]6C[C@@H](O[C@@H]6COP(=O)([O-])S[C@H]7C[C@@H](O[C@@H]7COP(=O)([O-])S[C@H]8C[C@@H](O[C@@H]8COP(=O)([O-])S[C@H]9C[C@@H](O[C@@H]9COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=O)NC1=O)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=C(C(=NC1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)N1C=NC2=C1N=C(NC2=O)N)CO)N1C=NC2=C1N=CN=C2N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=NC1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=NC1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=NC2=C1N=CN=C2N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=C(C(=NC1=O)N)C)OCCOC)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1,0,0,0,1,1,1,0,1,0,1,1,0,0,1,0,1,0,0,0,1,1,0,0,1,1,0 |
|
CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N,0,1,0,0,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN,0,1,0,1,1,1,1,1,1,0,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1 |
|
CCC(=O)NC[C@@H]1C[C@@H]1C2=C3CCOC3=CC=C2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0 |
|
CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1)O)OC1=C(C=CC(=C1)[C@@H](C(=O)N[C@H](CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)N)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,0,1,0,1,0,1,1 |
|
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)[C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C,0,1,0,0,1,1,1,0,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CC6=CC=CC=C6)N,0,0,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 |
|
CC1=CN(C(=O)C=C1)C2=CC=CC=C2,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,1,1,0,0,0,0,1,1 |
|
CN1/C(=C(/NC2=CC=CC=N2)\[O-])/C(=O)C3=CC=CC=C3S1(=O)=O.[Na+],1,1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1 |
|
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CC(=O)C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)[O-],1,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1,1,0,0,0,1,0,0,0,0,0 |
|
CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N,1,1,0,0,1,0,1,0,1,1,0,1,1,0,0,0,1,0,1,0,1,1,0,0,0,1,1 |
|
C(P(=O)(O)O)P(=O)(O)O,0,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0 |
|
C1COCC2=C1N=CC3=N/C(=C\4/C=CON4)/N=C23.OP(=O)(O)O,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,1 |
|
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0 |
|
CCOC1=C(C=CC(=C1)[C@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC,0,1,0,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0 |
|
CNC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCOCCOCC[18F],0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 |
|
CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC,0,0,0,0,1,0,1,0,0,0,0,1,0,0,1,1,0,0,1,1,0,0,0,0,1,1,0 |
|
CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,0 |
|
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O,0,1,0,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,1,1,1,1,0,1,1,1,1 |
|
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3],0,0,0,1,1,0,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,1,1,1,1,1 |
|
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC(C)C6=C(C7=CC8=C(C(=C(N8)C=C9C(=C(C(=N9)C=C1C(=C(C(=N1)C=C6N7)C)CCC(=O)O)CCC(=O)O)C)C)C(C)O)C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O,1,1,0,1,1,1,1,0,0,0,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,1 |
|
C[NH+](C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C(=C(N)[O-])C1=O)O)O)O)Cl)O,1,1,0,1,1,1,1,0,1,1,0,0,0,0,0,1,1,0,0,1,0,1,0,1,1,1,1 |
|
C[C@@H](C(=O)O)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 |
|
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl,1,0,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 |
|
[O-]S(=O)(=O)[O-].[Ba+2],0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1 |
|
C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl,1,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 |
|
[O-]S(=O)(=O)[O-].[Zn+2],0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 |
|
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,1,1,0,1,1,1,1,1,1,1,1,1,1,0,0,1,1,0,1,1,1,1,0,0,0,1,1 |
|
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O,1,1,0,0,0,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 |
|
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0 |
|
CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1 |
|
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,0,1,0,1,1,1,1,0,0,1,0,1,1,0,1,1,1,0,0,0,1,1,0,0,1,1,1 |
|
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2,1,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 |
|
|